Geometry & MOs

Info

ID:	121369
PubChem CID:	50765474
Reduced:	FON4H21C22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	396.115317
ΔH_f, kcal/mol:	1.58
Dipole, Da:	5.14
IP(EA), eV:	-8.1(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-7-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC2=C3C(=C(N(C3=NC=N2)C4=CC=C(C=C4)F)C)C

DOS

IR

Vibrations